2,4-diamino-6-oxo-10-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-phenyl-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile | 1240090-04-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2,4-diamino-6-oxo-10-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-phenyl-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile
• 英文别名: 2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-oxo-5-phenyl-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile；2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-oxo-5-phenyl-5,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carbonitrile
• CAS: 1240090-04-3
• 化学式: C₂₈H₂₄N₆OS
• 分子量: 492.604
• InChiKey: KAADMPKHBFMBDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  36
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  161
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-amino-4-phenylbuta-1,3-diene-1,1,3-tricarbonitrile 、 2-[(3-oxocyclohexen-1-yl)amino]-4,5,6,7-tetrahydrobenzo[b]thiopene-3-carbonitrile 在 哌啶 作用下， 以 乙醇 为溶剂， 以93%的产率得到2,4-diamino-6-oxo-10-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-phenyl-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile
  参考文献：
  名称：

  One-stage synthesis of highly functionalized N-substituted 1,8-naphthyridines

  摘要：

  DOI：

  10.1134/s1070428013110286

文献信息

• Three-component synthesis of 5-aryl-1,8-naphthyridine-3-carbonitriles
  作者：A. Yu. Alekseeva、D. L. Mikhailov、I. N. Bardasov、D. V. Timrukova、O. V. Ershov

  DOI：10.1134/s1070428016100158

  日期：2016.10

  A procedure has been developed for the synthesis of highly functionalized 1,8-naphthyridines by three-component condensation of aromatic aldehydes with malononitrile dimer and enamino ketones.